Analyte Name

Citalopram Alkene Dimer Chloride

CAS Number

1370643-27-8

Molecular Formula

C40 H41 F2 N4 O . Cl

Molecular Weight

667.23

Accurate Mass

666.294

SMILES

[Cl-].CN(C)CC\C=C(/c1ccc(F)cc1)\c2ccc(cc2C[N+](C)(C)CCCC3(OCc4cc(ccc34)C#N)c5ccc(F)cc5)C#N

InChI

InChI=1S/C40H41F2N4O.ClH/c1-45(2)21-5-7-37(31-10-14-35(41)15-11-31)38-18-8-29(25-43)23-32(38)27-46(3,4)22-6-20-40(34-12-16-36(42)17-13-34)39-19-9-30(26-44)24-33(39)28-47-40;/h7-19,23-24H,5-6,20-22,27-28H2,1-4H3;1H/q+1;/p-1/b37-7+;

IUPAC

[5-cyano-2-[(E)-4-(dimethylamino)-1-(4-fluorophenyl)but-1-enyl]phenyl]methyl-[3-[5-cyano-1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]propyl]-dimethylazanium;chloride

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat